| CAS Number | 1259929-73-1 |
| Catalog Number | AG00HIRI(AGN-PC-0WG4A2) |
| Chemical Name | 1,3-Diethyl 2-(6-Methoxypyridin-2-Yl)Propanedioate |
| IUPAC Name | diethyl 2-(6-methoxypyridin-2-yl)propanedioate |
| InChI | InChI=1S/C13H17NO5/c1-4-18-12(15)11(13(16)19-5-2)9-7-6-8-10(14-9)17-3/h6-8,11H,4-5H2,1-3H3 |
| InChI Key | PNDBXDXYTZJETA-UHFFFAOYSA-N |
| MDL Number | MFCD26320820 |
| Molecular Formula | C13H17NO5 |
| Molecular Weight | 267.2778 |
| SMILES | C(C(=O)OCC)(C(=O)OCC)c1nc(OC)ccc1 |
| Synonyms | Diethyl 2-(6-methoxypyridin-2-yl)malonate,
1259929-73-1,
1,3-DIETHYL 2-(6-METHOXYPYRIDIN-2-YL)PROPANEDIOATE,
SCHEMBL931124,
PNDBXDXYTZJETA-UHFFFAOYSA-N,
MFCD26320820,
ZINC114867062,
ABA-7792871,
DA-46563,
TZ001199,
CS-0035969,
FT-0749135,
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| Complexity | 289 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 267.111g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 19 |
| Hydrogen Bond Acceptor Count | 6 |
| Hydrogen Bond Donor Count | 0 |
| Isotope Atom Count | 0 |
| Molecular Weight | 267.281g/mol |
| Monoisotopic Mass | 267.111g/mol |
| Rotatable Bond Count | 8 |
| Topological Polar Surface Area | 74.7A^2 |
| Undefined Atom Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
| XLogP3 | 1.8 |
GHS Hazard and Precautionary Statements
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Certificate of Analysis
Lot Number